Geometry & MOs

Info

ID:	157391
PubChem CID:	56423155
Reduced:	FSO3N4H21C22 (1)
Stoich.:	ABC3D4E21F22 (1)
Weight, g/mol:	473.17329
ΔH_f, kcal/mol:	-67.03
Dipole, Da:	7.51
IP(EA), eV:	-8.96(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)OCC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4

DOS

IR

Vibrations